Blar i forfatter Artikler, rapporter og annet (kjemi) "Pomogaev, Valdimir A"

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    • Insight into the fluorescence quenching of Trp214 at HSA by the Dimetridazole ligand from simulation 

      Pomogaev, Valdimir A; Ramazanov, Ruslan R; Ruud, Kenneth; Artyukhov, Victor Ya (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-08-24)
      Spectroscopy is an important tool for detecting drug binding to amino acid sequences. One such important spectroscopic process is the fluorescence quenching due to charge transfer (CT) processes between a drug molecule and the chromophore center of Human Serum Albumin (HSA). We present a theoretical investigation of the CT occurring upon electronic excitation when a dimetridazole (Dmz) molecule ...

    • Photo-transformation trajectories of Nitro-Spiropyran in Hybrid Compounds with [60]Fullerene 

      Pomogaev, Valdimir A; Avramov, Pavel V; Ruud, Kenneth (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-07-12)
      Photo- and thermo- isomerization trajectories of various conversion pathways between nitro-spiropyran and its <i>trans–trans–cis</i> merocyanine form were produced and the role of nπ* states was investigated along the corresponding potential energy surface calculated using the ωB97XD functional and the cc-pVDZ basis set. The nondissociative nπ* states on the photoisomerization trajectories can switch ...